KEGG   DRUG: D10084Help
Entry
D10084                      Drug                                   

Name
Abexinostat hydrochloride (USAN)
Formula
C21H23N3O5. HCl
Exact mass
433.1404
Mol weight
433.8854
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
histone deacetylases (HDACs) inhibitor [HSA:3065 3066 8841 9759 10014 10013 51564 55869 9734 83933] [KO:K06067 K11404 K11406 K11407 K11408 K11405 K11409]
  Pathway
hsa04110  Cell cycle
hsa04330  Notch signaling pathway
hsa05200  Pathways in cancer  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Hydrolases
   histone deacetylase
    Abexinostat
     D10084  Abexinostat hydrochloride (USAN)
BRITE hierarchy
Other DBs
CAS: 
783356-67-2
PubChem: 
LigandBox: 
KCF data Show

ATOM        30
            1   C8y C    20.2300  -20.7200
            2   C5a C    21.4200  -21.4200
            3   N1b N    22.6800  -20.7200
            4   O5a O    21.4200  -22.8200
            5   C1b C    23.8700  -21.4200
            6   C1b C    25.0600  -20.7200
            7   O2a O    26.2500  -21.4200
            8   C8y C    27.4400  -20.7200
            9   C8x C    28.6300  -21.4200
            10  C8x C    29.8200  -20.7200
            11  C8y C    29.8200  -19.3200
            12  C8x C    28.6300  -18.6200
            13  C8x C    27.4400  -19.3200
            14  C5a C    31.0800  -18.6200
            15  N1b N    32.2700  -19.3200
            16  O5a O    31.0800  -17.2200
            17  O2x O    19.8100  -19.3900
            18  C8y C    18.4100  -19.3900
            19  C8y C    17.9200  -20.7200
            20  C8y C    19.1100  -21.5600
            21  C8x C    17.4300  -18.3400
            22  C8x C    16.1000  -18.6200
            23  C8x C    15.6100  -19.9500
            24  C8x C    16.5900  -21.0000
            25  O1b O    33.4600  -18.6200
            26  C1b C    19.1302  -22.9599
            27  N1c N    17.9131  -23.6862
            28  C1a C    16.6849  -23.0008
            29  C1a C    17.9332  -25.0599
            30  X   Cl   29.8200  -24.9200
BOND        31
            1     1   2 1
            2     2   3 1
            3     2   4 2
            4     3   5 1
            5     5   6 1
            6     6   7 1
            7     7   8 1
            8     8   9 2
            9     9  10 1
            10   10  11 2
            11   11  12 1
            12   12  13 2
            13    8  13 1
            14   11  14 1
            15   14  15 1
            16   14  16 2
            17    1  17 1
            18   17  18 1
            19   18  19 2
            20   19  20 1
            21    1  20 2
            22   18  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   15  25 1
            28   20  26 1
            29   26  27 1
            30   27  28 1
            31   27  29 1

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